CID 10633397

99944-02-2

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1CN(CCC1CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c16-14(17)10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,17)

InChIKey

GVMWYGJXPBMXEE-UHFFFAOYSA-N

Compound name

2-(1-benzylpiperidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 233.14159 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.14887	154.7
[M+Na]+	256.13081	158.6
[M-H]-	232.13431	157.4
[M+NH4]+	251.17541	169.8
[M+K]+	272.10475	155.2
[M+H-H2O]+	216.13885	146.6
[M+HCOO]-	278.13979	171.5
[M+CH3COO]-	292.15544	188.3
[M+Na-2H]-	254.11626	157.4
[M]+	233.14104	150.0
[M]-	233.14214	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe